4-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)-2-methyl-butanoic acid

Systemtic Name: 4-(6-azanyl-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)-2-methyl-butanoic acid Openeye Name: 4-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)-2-methyl-butanoic acid CAS Name: 4-(6-amino-5-methyl-3-phenyl-1-pyridazin-1-iumyl)-2-methylbutanoic acid IUPAC Name: 4-(6-amino-5-methyl-3-phenylpyridazin-1-ium-1-yl)-2-methylbutanoic acid Traditional Name: 4-(6-amino-5-methyl-3-phenyl-pyridazin-1-ium-1-yl)-2-methyl-butyric acid Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+](=C1N)CCC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=N[N+](=C1N)CCC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2/c1-11(16(20)21)8-9-19-15(17)12(2)10-14(18-19)13-6-4-3-5-7-13/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,21)/p+1